5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid

C8H10O3S — CID 12678705

IUPAC5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid
SMILESCC(C)(O)c1ccc(C(=O)O)s1
InChIInChI=1S/C8H10O3S/c1-8(2,11)6-4-3-5(12-6)7(9)10/h3-4,11H,1-2H3,(H,9,10)
InChIKeyMBXGTGPEONSASI-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.67
Rot. Bonds2

About 5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid

5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid (PubChem CID 12678705) has the molecular formula C8H10O3S and a molecular weight of 186.23 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid
PubChem CID12678705
Molecular FormulaC8H10O3S
Molecular Weight186.23 g/mol
Exact Mass186.04
IUPAC Name5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid
SMILESCC(C)(O)c1ccc(C(=O)O)s1
InChIInChI=1S/C8H10O3S/c1-8(2,11)6-4-3-5(12-6)7(9)10/h3-4,11H,1-2H3,(H,9,10)
InChIKeyMBXGTGPEONSASI-UHFFFAOYSA-N
XLogP1.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethylthiophene-2-carboxylic acid
CID 2769634
5-Methylthiophene-2-carboxylic acid
CID 74713
4-(Thiophen-2-yl)benzoic acid
CID 736498
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2998934
4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2063443
4H,5H,6H-cyclopenta(b)thiophene-2-carboxylic acid
CID 770980
5-Acetylthiophene-2-carboxylic acid
CID 3742727
5-Ethylthiophene-2-carboxylic acid
CID 588192
2,5-Thiophenedicarboxylic acid
CID 20273
2-(5-Acetylthiophen-2-yl)acetic acid
CID 16767441
5-Tert-butylthiophene-2-carboxylic acid
CID 458349

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid (CID 12678705) is 5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid is CC(C)(O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid?
The InChIKey is MBXGTGPEONSASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3S/c1-8(2,11)6-4-3-5(12-6)7(9)10/h3-4,11H,1-2H3,(H,9,10).
What are the key properties of 5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid?
5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid has a molecular weight of 186.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 12678705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).